(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide

C18H27BrN2O2 — CID 25494848

IUPAC(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
SMILESC[C@H](C(=O)NC1CCCCC1)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C18H27BrN2O2/c1-14(18(22)20-16-6-4-3-5-7-16)21(2)12-13-23-17-10-8-15(19)9-11-17/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyFAUXXSKHJGLCSI-CQSZACIVSA-N
MW383.33 g/mol
LogP3.60
Rot. Bonds7

About (2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide

(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide (PubChem CID 25494848) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is (2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
PubChem CID25494848
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC Name(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
SMILESC[C@H](C(=O)NC1CCCCC1)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C18H27BrN2O2/c1-14(18(22)20-16-6-4-3-5-7-16)21(2)12-13-23-17-10-8-15(19)9-11-17/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyFAUXXSKHJGLCSI-CQSZACIVSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 18094726
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46483737
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
(2R)-2-[(4-bromophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100570531
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide
CID 18094197
(2R)-2-[(4-bromophenyl)methyl-[2-(4-tert-butylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100569699
2-[[2-(4-bromophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133174873
2-[(4-bromophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 133196453
N-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl-methylamino]propanamide
CID 55432130
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
CID 47467269
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842569

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide?
The IUPAC name of (2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide (CID 25494848) is (2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide.
What is the SMILES notation for (2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide?
The canonical SMILES for (2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide is C[C@H](C(=O)NC1CCCCC1)N(C)CCOc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide?
The InChIKey is FAUXXSKHJGLCSI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-14(18(22)20-16-6-4-3-5-7-16)21(2)12-13-23-17-10-8-15(19)9-11-17/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide?
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide has a molecular weight of 383.33 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide is sourced from PubChem (CID 25494848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).